User contributions for Chl1718
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8 May 2020
- 17:4417:44, 8 May 2020 diff hist +1,606 MRD:chl1718 04052020 No edit summary Tag: Visual edit
- 17:2617:26, 8 May 2020 diff hist 0 N File:Chl1718 FHHTable4.png No edit summary current
- 17:2617:26, 8 May 2020 diff hist 0 N File:Chl1718 FHHTable3.png No edit summary current
- 17:1017:10, 8 May 2020 diff hist 0 N File:Chl1718 FHHTable2.png No edit summary current
- 17:0017:00, 8 May 2020 diff hist 0 N File:Chl1718 FHHTable1.png No edit summary current
- 16:4116:41, 8 May 2020 diff hist 0 N File:Chl1718 FHHMo.png No edit summary current
- 16:3216:32, 8 May 2020 diff hist +239 MRD:chl1718 04052020 →Transition State
- 16:3216:32, 8 May 2020 diff hist +1 MRD:chl1718 04052020 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 15:4915:49, 8 May 2020 diff hist +2,676 MRD:chl1718 04052020 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table? Tag: Visual edit
- 15:4415:44, 8 May 2020 diff hist 0 N File:Chl1718 FHHE2.png No edit summary current
- 15:4415:44, 8 May 2020 diff hist 0 N File:Chl1718 FHHE1.png No edit summary current
- 15:4015:40, 8 May 2020 diff hist 0 N File:Chl1718 FHHTS.png No edit summary current
- 14:5014:50, 8 May 2020 diff hist 0 N File:Chl1718 FHH1.png No edit summary current
- 14:1314:13, 8 May 2020 diff hist +671 MRD:chl1718 04052020 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table? Tag: Visual edit
- 14:0314:03, 8 May 2020 diff hist +932 MRD:chl1718 04052020 →MEP Tag: Visual edit
- 13:5513:55, 8 May 2020 diff hist 0 N File:Chl1718 HHHMEP2.png No edit summary current
- 13:5513:55, 8 May 2020 diff hist 0 N File:Chl1718 HHHMEP1.png No edit summary current
- 13:4713:47, 8 May 2020 diff hist +444 MRD:chl1718 04052020 →Transition State Tag: Visual edit
- 13:3613:36, 8 May 2020 diff hist +1,315 MRD:chl1718 04052020 →Transition State Tag: Visual edit
- 13:2913:29, 8 May 2020 diff hist 0 N File:Chl1718 HHHTS3.png No edit summary current
- 13:0913:09, 8 May 2020 diff hist 0 N File:Chl1718 HHHTS2.png No edit summary current
- 13:0413:04, 8 May 2020 diff hist 0 N File:Chl1718 HHHTS1.png No edit summary current
- 12:1212:12, 8 May 2020 diff hist +167 MRD:chl1718 04052020 →Plots using the lepsgui.py function Tag: Visual edit
- 12:0712:07, 8 May 2020 diff hist +185 MRD:chl1718 04052020 No edit summary Tag: Visual edit: Switched
- 12:0012:00, 8 May 2020 diff hist +153 MRD:chl1718 04052020 →Plots using the lepsgui.py function Tag: Visual edit: Switched
- 11:5411:54, 8 May 2020 diff hist +82 MRD:chl1718 04052020 No edit summary
- 11:5311:53, 8 May 2020 diff hist +37 MRD:chl1718 04052020 No edit summary Tag: Visual edit: Switched
- 11:4811:48, 8 May 2020 diff hist −16 MRD:chl1718 04052020 No edit summary
- 11:4611:46, 8 May 2020 diff hist +540 MRD:chl1718 04052020 →H+H2 Tag: Visual edit
- 07:5907:59, 8 May 2020 diff hist 0 N File:Chl1718 HHH6.png No edit summary current
- 07:5907:59, 8 May 2020 diff hist 0 N File:Chl1718 HHH5.png No edit summary current
- 07:5807:58, 8 May 2020 diff hist 0 N File:Chl1718 HHH4.png No edit summary current
- 07:5807:58, 8 May 2020 diff hist 0 N File:Chl1718 HHH3.png No edit summary current
- 07:5407:54, 8 May 2020 diff hist 0 N File:Chl1718 HHH7.png No edit summary current
- 07:5407:54, 8 May 2020 diff hist 0 N File:Chl1718 HHH2.png No edit summary current
- 07:4407:44, 8 May 2020 diff hist 0 N File:Chl1718 HHH1.png No edit summary current
7 May 2020
- 14:4414:44, 7 May 2020 diff hist +80 MRD:chl1718 04052020 →H+H2 Tag: Visual edit
- 14:4314:43, 7 May 2020 diff hist 0 N File:Chl1718 HHHTable5.png No edit summary current
- 14:4214:42, 7 May 2020 diff hist 0 N File:Chl1718 HHHTable4.png No edit summary current
- 14:3014:30, 7 May 2020 diff hist −74 MRD:chl1718 04052020 →H+H2 Tag: Visual edit
- 09:5709:57, 7 May 2020 diff hist +53 MRD:chl1718 04052020 →H+H2 Tag: Visual edit
- 09:3709:37, 7 May 2020 diff hist +92 MRD:chl1718 04052020 →H+H2 Tag: Visual edit
- 09:3309:33, 7 May 2020 diff hist +49 MRD:chl1718 04052020 →H+H2 Tag: Visual edit
- 09:3109:31, 7 May 2020 diff hist 0 N File:Chl1718 HHHTable3.png No edit summary current
- 09:3109:31, 7 May 2020 diff hist 0 N File:Chl1718 HHHTable2.png No edit summary current
- 09:3009:30, 7 May 2020 diff hist 0 N File:Chl1718 HHHTable1.png No edit summary current
- 08:5108:51, 7 May 2020 diff hist +705 N MRD:chl1718 04052020 Created page with "= Modelling Molecular Reaction Dynamics = == H+H<sub>2</sub> == {| class="wikitable" !p<sub>1</sub>/ g.mol<sup>-1</sup>.pm.fs<sup>-1</sup> !p<sub>2</sub>/ g.mol<sup>-1</sup..." Tag: Visual edit